量子化学計算を用いた高性能アモルファスフッ素ポリマー・エレクトレットの開発

抄録

A novel high-performance electret for energy harvesting is developed with the aid of quantum chemical analysis. Density functional theory is adopted to analyze molecular electron affinity and distribution of trapped electron in a single molecule of amorphous fluorinated polymer CYTOP with different end groups. Among end groups examined, one forming the amide bond has higher electron affinity than other CYTOP electrets. Actual polymer electret is formed by adding Tris(2-aminoethyl)amine into CTX-A with the carboxy group. It is found in the thermally stimulated discharge experiments that the peak temperature of the newly developed material is much higher than that of CYTOP EGG, which is known as the best polymer electret, showing higher thermal stability of charges than CYTOP EGG.